AA59139
138907-69-4 | Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA59139
ChemicalName
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
CasNumber
138907-69-4
MolecularFormula
C12H11F2N3O2
MolecularWeight
267.2314464
MdlNumber
MFCD06795943
Smiles
CCOC(=O)c1cnn(c1N)c1cc(F)ccc1F
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AA59139
ChemicalName: Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
CasNumber: 138907-69-4
MolecularFormula: C12H11F2N3O2
MolecularWeight: 267.2314464
MdlNumber: MFCD06795943
Smiles: CCOC(=O)c1cnn(c1N)c1cc(F)ccc1F
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA59139
ChemicalName:
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
CasNumber:
138907-69-4
MolecularFormula:
C12H11F2N3O2
MolecularWeight:
267.2314464
MdlNumber:
MFCD06795943
Smiles:
CCOC(=O)c1cnn(c1N)c1cc(F)ccc1F
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AA59140
ChemicalName: Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber: 138907-68-3
MolecularFormula: C12H12FN3O2
MolecularWeight: 249.241
MdlNumber: MFCD00173917
Smiles: CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA59140
ChemicalName:
Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber:
138907-68-3
MolecularFormula:
C12H12FN3O2
MolecularWeight:
249.241
MdlNumber:
MFCD00173917
Smiles:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CNCc1c(CO)cnc(c1O)C
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CNCc1c(CO)cnc(c1O)C
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Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)OCc1ccccc1)N1C(=O)c2c(C1=O)cccc2
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Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)OCc1ccccc1)N1C(=O)c2c(C1=O)cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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